Unwrapped coordinate in trajectory file

[Yiyang]

Hello,

For periodic simulation, if the input atomistic coordinates of a system is 
already
wrapped into the simulation box, then is it possible to make CP2K dump 
unwrapped
coordinates in trajectory file?

If the answer is no, then do we must use unwrapped coordinates as input in 
order
to have unwrapped coordinates in trajectory file?

Thanks.

Regard,
Yiyang

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161030/51841945/attachment.htm>